MMsINC Database Search


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MMsINC code: MMs01691167

Type: Neutral
Formula: C₁₉H₁₅N₃O₃

SMILES:

O=C(Nc1cc(cc(c1)C(=O)N)C(=O)N)c1cc2c(cc1)cccc2

InChI:

InChI=1/C19H15N3O3/c20-17(23)14-8-15(18(21)24)10-16(9-14)22-19(25)13-6-5-11-3-1-2-4-12(11)7-13/h1-10H,(H2,20,23)(H2,21,24)(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.2872 kcal/mol

Physical Properties
Molecular Weight: 333.347 g/mol	logS: -5.73699	SlogP: 2.2899	Reactive groups: 0

Topological Properties
Globularity: 0.0151531	Sterimol/B1: 2.74085	Sterimol/B2: 2.82881	Sterimol/B3: 5.01852
Sterimol/B4: 5.2266	Sterimol/L: 17.7916

Surface and Volume Properties
Accessible surface: 576.416	Positive charged surface: 304.925	Negative charged surface: 260.676	Volume: 304.25
Hydrophobic surface: 331.569	Hydrophilic surface: 244.847

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.